Geometry & MOs

Info

ID:	357904
PubChem CID:	127295404
Reduced:	O2N3C22H39 (1)
Stoich.:	A2B3C22D39 (1)
Weight, g/mol:	391.202655
ΔH_f, kcal/mol:	-139.05
Dipole, Da:	5.11
IP(EA), eV:	-9.0(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]-2-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C(C)N2CCCN(CC2)C(=O)CC3CCCC3

DOS

IR

Vibrations